SCHEMBL16159306

SCHEMBL16159306

c1ccc(-n2c3cc(-c4cccc(-c5ncco5)c4)ccc3c3ccc(-c4cccc(-c5ncco5)c4)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
LTA4H P09960 1/20 0.43
BRD4 O60885 2/20 0.38
MAPK8 P45983 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC4 P56524 1/20 0.35
RORC P51449 1/20 0.35
KHK P50053 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 2/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
CCNC P24863 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16159839 0.92 LTA4H (0.49) HPGDSLTA4HBRD4MAPK8KDM4E
SCHEMBL16159873 0.89 HPGDS (0.42) HPGDSLTA4HBRD4MAPK8KDM4E
SCHEMBL16159317 0.88 HPGDS (0.37) HPGDSLTA4HBRD4MAPK8KDM4E
SCHEMBL16159646 0.84 LTA4H (0.38) HPGDSLTA4HBRD4MAPK8KDM4E
SCHEMBL16159379 0.84 HPGDS (0.42) HPGDSLTA4HBRD4MAPK8KDM4E
SCHEMBL16159307 0.83 HPGDS (0.38) HPGDSLTA4HBRD4L3MBTL1ALDH1A1
SCHEMBL16159103 0.82 L3MBTL1 (0.40) HPGDSLTA4HBRD4MAPK8KDM4E
SCHEMBL17704309 0.80 HPGDS (0.51) HPGDSLTA4HBRD4HDAC4FAAH
SCHEMBL16159827 0.80 LTA4H (0.40) HPGDSLTA4HBRD4MAPK8KDM4E
SCHEMBL2152660 0.80 HPGDS (0.61) HPGDSLTA4HHDAC4FAAHMCL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 HPGDS 4461/4885LTA4H 1673/4885BRD4 712/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.